Thursday, 3 November 2005: 12:30 PM-3:00 PM
210 (Cincinnati Convention Center)

Topical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes (T3)

#503 - Hybrid Multiscale Simulation (T3020)
Papers are solicited that present studies on the simulation of systems with time and length scales that span many orders-of-magnitude. This includes hybrid simulation algorithms in which Monte Carlo and/or Molecular Dynamics models are dynamically coupled to continuum-level distributed parameter models, as well as coarse-grained or mesoscopic simulation models designed to improve the numerical stability and accuracy at the interface between such models. Papers on numerical algorithms, numerical and dynamical analysis, bifurcation studies, and order reduction of multiscale models will be considered. Both novel multiscale simulation algorithms and new applications of existing techniques are of interest.
CoChair:Prasenjeet Ghosh
Chair:Richard D. Braatz
12:30 PMGuidelines for the Design of Multiscale Simulation Codes
Richard D. Braatz, Yuan He, Richard C. Alkire
12:50 PMMultiscale Modeling of Structure and Phase Behavior in Heterogeneous Lipid Bilayers
Sandra Bennun-Serrano, Allison N. Dickey, Roland Faller
1:10 PMExploring the Allostery of Actin Filaments Via Molecular Dynamics Simulations and Coarse-Grained Analysis
Jhih-Wei Chu, GREGORY A. Voth
1:30 PMInput Output Optimal Control of Multi-Scale Systems Using Adaptive Policy Iteration
Eduardo J. Dozal-Mejorada, B. Erik Ydstie
1:50 PMDynamic Optimization of Stochastic Systems Using in Situ Adaptive Tabulation
Amit Varshney, Antonios Armaou
2:10 PMPredictive Control of Thin Film Deposition Using Stochastic Pdes
Dong Ni, Panagiotis D. Christofides
Sponsor:Topical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes
Cosponsors:Catalysis and Reaction Engineering Division; Computational Molecular Science and Engineering Forum

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